USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 1.06 K(o=2.2,f=-0.9!) USER MOD Set 1.2: A 81 THR OG1 : rot 65:sc= 1.09 USER MOD Set 2.1: A 68 SER OG : rot -65:sc= 1.77 USER MOD Set 2.2: A 71 SER OG : rot 40:sc= 0.856! USER MOD Single : A 3 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-5.1!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.022 USER MOD Single : A 9 GLN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.129 (180deg=-0.846) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -3.01 K(o=-3,f=-5.1!) USER MOD Single : A 80 THR OG1 : rot -35:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.145 -6.120 -1.862 1.00 0.00 N ATOM 21 CA GLN A 2 11.074 -6.884 -3.140 1.00 0.00 C ATOM 22 C GLN A 2 10.215 -6.114 -4.145 1.00 0.00 C ATOM 23 O GLN A 2 10.483 -6.107 -5.329 1.00 0.00 O ATOM 24 CB GLN A 2 10.448 -8.256 -2.879 1.00 0.00 C ATOM 25 CG GLN A 2 11.358 -9.067 -1.954 1.00 0.00 C ATOM 26 CD GLN A 2 10.708 -10.419 -1.655 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.527 -10.600 -1.873 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.435 -11.384 -1.160 1.00 0.00 N ATOM 0 HA GLN A 2 12.078 -7.014 -3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.464 -8.138 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.304 -8.786 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.331 -9.215 -2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.530 -8.521 -1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.427 -11.233 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.011 -12.289 -0.957 1.00 0.00 H new ATOM 37 N HIS A 3 9.184 -5.465 -3.679 1.00 0.00 N ATOM 38 CA HIS A 3 8.304 -4.692 -4.600 1.00 0.00 C ATOM 39 C HIS A 3 7.645 -3.552 -3.821 1.00 0.00 C ATOM 40 O HIS A 3 6.549 -3.126 -4.127 1.00 0.00 O ATOM 41 CB HIS A 3 7.224 -5.616 -5.167 1.00 0.00 C ATOM 42 CG HIS A 3 7.269 -5.584 -6.671 1.00 0.00 C ATOM 43 ND1 HIS A 3 6.122 -5.467 -7.444 1.00 0.00 N ATOM 44 CD2 HIS A 3 8.315 -5.653 -7.560 1.00 0.00 C ATOM 45 CE1 HIS A 3 6.501 -5.470 -8.736 1.00 0.00 C ATOM 46 NE2 HIS A 3 7.824 -5.582 -8.859 1.00 0.00 N ATOM 0 H HIS A 3 8.912 -5.437 -2.696 1.00 0.00 H new ATOM 0 HA HIS A 3 8.895 -4.283 -5.419 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.379 -6.634 -4.810 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.241 -5.301 -4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.357 -5.748 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.818 -5.391 -9.569 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.363 -5.610 -9.725 1.00 0.00 H new ATOM 55 N ALA A 4 8.306 -3.059 -2.810 1.00 0.00 N ATOM 56 CA ALA A 4 7.722 -1.953 -2.001 1.00 0.00 C ATOM 57 C ALA A 4 7.491 -0.727 -2.886 1.00 0.00 C ATOM 58 O ALA A 4 6.562 0.029 -2.681 1.00 0.00 O ATOM 59 CB ALA A 4 8.684 -1.589 -0.869 1.00 0.00 C ATOM 0 H ALA A 4 9.228 -3.376 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 4 6.769 -2.278 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.258 -0.780 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.844 -2.460 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.637 -1.268 -1.290 1.00 0.00 H new ATOM 65 N SER A 5 8.327 -0.516 -3.865 1.00 0.00 N ATOM 66 CA SER A 5 8.145 0.671 -4.747 1.00 0.00 C ATOM 67 C SER A 5 6.790 0.583 -5.452 1.00 0.00 C ATOM 68 O SER A 5 6.127 1.578 -5.666 1.00 0.00 O ATOM 69 CB SER A 5 9.262 0.707 -5.790 1.00 0.00 C ATOM 70 OG SER A 5 9.104 -0.384 -6.687 1.00 0.00 O ATOM 0 H SER A 5 9.124 -1.111 -4.092 1.00 0.00 H new ATOM 0 HA SER A 5 8.181 1.579 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.234 1.649 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.234 0.652 -5.300 1.00 0.00 H new ATOM 0 HG SER A 5 9.818 -0.362 -7.358 1.00 0.00 H new ATOM 76 N VAL A 6 6.368 -0.598 -5.805 1.00 0.00 N ATOM 77 CA VAL A 6 5.049 -0.740 -6.483 1.00 0.00 C ATOM 78 C VAL A 6 3.942 -0.378 -5.498 1.00 0.00 C ATOM 79 O VAL A 6 2.958 0.234 -5.853 1.00 0.00 O ATOM 80 CB VAL A 6 4.858 -2.181 -6.952 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.438 -2.360 -7.493 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.869 -2.500 -8.058 1.00 0.00 C ATOM 0 H VAL A 6 6.877 -1.469 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 6 5.011 -0.076 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 6 5.015 -2.857 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.303 -3.389 -7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.718 -2.137 -6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.280 -1.682 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.731 -3.529 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.715 -1.823 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.881 -2.376 -7.673 1.00 0.00 H new ATOM 92 N ILE A 7 4.094 -0.756 -4.261 1.00 0.00 N ATOM 93 CA ILE A 7 3.051 -0.434 -3.251 1.00 0.00 C ATOM 94 C ILE A 7 2.914 1.084 -3.123 1.00 0.00 C ATOM 95 O ILE A 7 1.831 1.629 -3.202 1.00 0.00 O ATOM 96 CB ILE A 7 3.458 -1.036 -1.907 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.572 -2.556 -2.055 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.401 -0.701 -0.852 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.142 -3.159 -0.771 1.00 0.00 C ATOM 0 H ILE A 7 4.897 -1.275 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 7 2.093 -0.851 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 7 4.417 -0.623 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.592 -2.985 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.215 -2.801 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.694 -1.132 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.316 0.381 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.439 -1.114 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.221 -4.241 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.130 -2.740 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.482 -2.927 0.064 1.00 0.00 H new ATOM 111 N ALA A 8 4.006 1.774 -2.941 1.00 0.00 N ATOM 112 CA ALA A 8 3.938 3.260 -2.824 1.00 0.00 C ATOM 113 C ALA A 8 3.436 3.842 -4.142 1.00 0.00 C ATOM 114 O ALA A 8 2.573 4.698 -4.173 1.00 0.00 O ATOM 115 CB ALA A 8 5.331 3.813 -2.518 1.00 0.00 C ATOM 0 H ALA A 8 4.942 1.375 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 8 3.257 3.535 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.281 4.898 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.692 3.392 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.014 3.544 -3.323 1.00 0.00 H new ATOM 121 N GLN A 9 3.969 3.374 -5.234 1.00 0.00 N ATOM 122 CA GLN A 9 3.530 3.882 -6.563 1.00 0.00 C ATOM 123 C GLN A 9 2.068 3.502 -6.790 1.00 0.00 C ATOM 124 O GLN A 9 1.270 4.295 -7.240 1.00 0.00 O ATOM 125 CB GLN A 9 4.398 3.239 -7.649 1.00 0.00 C ATOM 126 CG GLN A 9 4.021 3.803 -9.020 1.00 0.00 C ATOM 127 CD GLN A 9 3.884 2.653 -10.019 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.644 2.559 -10.963 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.942 1.767 -9.846 1.00 0.00 N ATOM 0 H GLN A 9 4.694 2.657 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 9 3.633 4.967 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.452 3.430 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.263 2.157 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.084 4.356 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.782 4.506 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.305 1.848 -9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.842 0.994 -10.504 1.00 0.00 H new ATOM 138 N PHE A 10 1.722 2.288 -6.479 1.00 0.00 N ATOM 139 CA PHE A 10 0.321 1.826 -6.670 1.00 0.00 C ATOM 140 C PHE A 10 -0.614 2.602 -5.743 1.00 0.00 C ATOM 141 O PHE A 10 -1.657 3.077 -6.147 1.00 0.00 O ATOM 142 CB PHE A 10 0.249 0.333 -6.340 1.00 0.00 C ATOM 143 CG PHE A 10 -1.128 -0.197 -6.650 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.092 -0.275 -5.639 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.439 -0.618 -7.948 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.367 -0.774 -5.925 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.714 -1.117 -8.236 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.678 -1.195 -7.223 1.00 0.00 C ATOM 0 H PHE A 10 2.357 1.587 -6.096 1.00 0.00 H new ATOM 0 HA PHE A 10 0.014 1.996 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.996 -0.212 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.481 0.173 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.852 0.050 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.694 -0.558 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.111 -0.834 -5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.954 -1.441 -9.238 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.662 -1.580 -7.444 1.00 0.00 H new ATOM 158 N VAL A 11 -0.250 2.725 -4.499 1.00 0.00 N ATOM 159 CA VAL A 11 -1.115 3.459 -3.531 1.00 0.00 C ATOM 160 C VAL A 11 -1.153 4.949 -3.883 1.00 0.00 C ATOM 161 O VAL A 11 -2.201 5.562 -3.921 1.00 0.00 O ATOM 162 CB VAL A 11 -0.540 3.289 -2.125 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.328 4.153 -1.141 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.640 1.819 -1.710 1.00 0.00 C ATOM 0 H VAL A 11 0.613 2.348 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.127 3.057 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 11 0.505 3.599 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.917 4.031 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.256 5.199 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.374 3.846 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.230 1.695 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.685 1.510 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.076 1.204 -2.411 1.00 0.00 H new ATOM 174 N VAL A 12 -0.015 5.535 -4.129 1.00 0.00 N ATOM 175 CA VAL A 12 0.034 6.988 -4.467 1.00 0.00 C ATOM 176 C VAL A 12 -0.656 7.253 -5.807 1.00 0.00 C ATOM 177 O VAL A 12 -1.260 8.288 -6.009 1.00 0.00 O ATOM 178 CB VAL A 12 1.491 7.434 -4.550 1.00 0.00 C ATOM 179 CG1 VAL A 12 1.559 8.860 -5.099 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.114 7.396 -3.153 1.00 0.00 C ATOM 0 H VAL A 12 0.891 5.067 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.486 7.549 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 12 2.039 6.764 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.600 9.178 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.114 8.889 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.012 9.531 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.155 7.714 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.565 8.066 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.066 6.380 -2.761 1.00 0.00 H new ATOM 190 N GLU A 13 -0.557 6.341 -6.730 1.00 0.00 N ATOM 191 CA GLU A 13 -1.190 6.556 -8.063 1.00 0.00 C ATOM 192 C GLU A 13 -2.664 6.926 -7.889 1.00 0.00 C ATOM 193 O GLU A 13 -3.205 7.725 -8.627 1.00 0.00 O ATOM 194 CB GLU A 13 -1.089 5.272 -8.889 1.00 0.00 C ATOM 195 CG GLU A 13 -1.626 5.516 -10.297 1.00 0.00 C ATOM 196 CD GLU A 13 -1.666 4.193 -11.064 1.00 0.00 C ATOM 197 OE1 GLU A 13 -2.058 4.213 -12.219 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.305 3.183 -10.483 1.00 0.00 O ATOM 0 H GLU A 13 -0.065 5.454 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.672 7.367 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.051 4.942 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.655 4.474 -8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.625 5.950 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.993 6.233 -10.820 1.00 0.00 H new ATOM 205 N GLU A 14 -3.320 6.344 -6.927 1.00 0.00 N ATOM 206 CA GLU A 14 -4.762 6.655 -6.713 1.00 0.00 C ATOM 207 C GLU A 14 -4.939 8.103 -6.244 1.00 0.00 C ATOM 208 O GLU A 14 -5.922 8.746 -6.553 1.00 0.00 O ATOM 209 CB GLU A 14 -5.330 5.707 -5.654 1.00 0.00 C ATOM 210 CG GLU A 14 -5.293 4.271 -6.181 1.00 0.00 C ATOM 211 CD GLU A 14 -5.921 3.333 -5.149 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.188 3.788 -4.049 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.124 2.176 -5.477 1.00 0.00 O ATOM 0 H GLU A 14 -2.921 5.666 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.293 6.526 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.750 5.783 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.354 5.990 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.834 4.205 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.264 3.972 -6.381 1.00 0.00 H new ATOM 220 N PHE A 15 -4.014 8.617 -5.478 1.00 0.00 N ATOM 221 CA PHE A 15 -4.163 10.015 -4.975 1.00 0.00 C ATOM 222 C PHE A 15 -3.428 11.002 -5.887 1.00 0.00 C ATOM 223 O PHE A 15 -4.035 11.861 -6.495 1.00 0.00 O ATOM 224 CB PHE A 15 -3.585 10.104 -3.563 1.00 0.00 C ATOM 225 CG PHE A 15 -4.240 9.058 -2.700 1.00 0.00 C ATOM 226 CD1 PHE A 15 -3.630 7.811 -2.542 1.00 0.00 C ATOM 227 CD2 PHE A 15 -5.460 9.328 -2.071 1.00 0.00 C ATOM 228 CE1 PHE A 15 -4.236 6.830 -1.753 1.00 0.00 C ATOM 229 CE2 PHE A 15 -6.068 8.347 -1.279 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.457 7.097 -1.121 1.00 0.00 C ATOM 0 H PHE A 15 -3.167 8.134 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.222 10.273 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.506 9.951 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.757 11.097 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.689 7.605 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.932 10.291 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.763 5.867 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.008 8.554 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.927 6.339 -0.512 1.00 0.00 H new ATOM 240 N LEU A 16 -2.127 10.900 -5.972 1.00 0.00 N ATOM 241 CA LEU A 16 -1.356 11.849 -6.830 1.00 0.00 C ATOM 242 C LEU A 16 -0.526 11.076 -7.857 1.00 0.00 C ATOM 243 O LEU A 16 0.650 10.839 -7.664 1.00 0.00 O ATOM 244 CB LEU A 16 -0.421 12.675 -5.945 1.00 0.00 C ATOM 245 CG LEU A 16 -1.051 14.041 -5.672 1.00 0.00 C ATOM 246 CD1 LEU A 16 -2.376 13.853 -4.932 1.00 0.00 C ATOM 247 CD2 LEU A 16 -0.102 14.877 -4.810 1.00 0.00 C ATOM 0 H LEU A 16 -1.565 10.201 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.051 12.504 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.237 12.153 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.545 12.800 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.231 14.553 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.825 14.827 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.053 13.257 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.195 13.341 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.550 15.851 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.078 14.365 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.843 15.012 -5.335 1.00 0.00 H new ATOM 301 N ALA A 20 5.623 12.092 -9.566 1.00 0.00 N ATOM 302 CA ALA A 20 6.437 10.852 -9.463 1.00 0.00 C ATOM 303 C ALA A 20 6.325 10.309 -8.028 1.00 0.00 C ATOM 304 O ALA A 20 6.715 10.975 -7.091 1.00 0.00 O ATOM 305 CB ALA A 20 7.900 11.181 -9.769 1.00 0.00 C ATOM 0 HA ALA A 20 6.078 10.107 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.500 10.274 -9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.978 11.586 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.265 11.917 -9.053 1.00 0.00 H new ATOM 311 N PRO A 21 5.790 9.119 -7.836 1.00 0.00 N ATOM 312 CA PRO A 21 5.636 8.542 -6.470 1.00 0.00 C ATOM 313 C PRO A 21 6.989 8.269 -5.811 1.00 0.00 C ATOM 314 O PRO A 21 7.129 8.332 -4.605 1.00 0.00 O ATOM 315 CB PRO A 21 4.844 7.251 -6.683 1.00 0.00 C ATOM 316 CG PRO A 21 4.994 6.900 -8.124 1.00 0.00 C ATOM 317 CD PRO A 21 5.292 8.197 -8.876 1.00 0.00 C ATOM 0 HA PRO A 21 5.127 9.230 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.225 6.452 -6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.795 7.392 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.801 6.181 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.084 6.435 -8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.035 8.041 -9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.398 8.590 -9.360 1.00 0.00 H new ATOM 325 N ALA A 22 7.988 7.975 -6.595 1.00 0.00 N ATOM 326 CA ALA A 22 9.337 7.710 -6.022 1.00 0.00 C ATOM 327 C ALA A 22 9.941 9.026 -5.529 1.00 0.00 C ATOM 328 O ALA A 22 10.906 9.044 -4.791 1.00 0.00 O ATOM 329 CB ALA A 22 10.240 7.104 -7.098 1.00 0.00 C ATOM 0 H ALA A 22 7.928 7.907 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 22 9.251 7.012 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.227 6.910 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.807 6.169 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.331 7.801 -7.931 1.00 0.00 H new ATOM 335 N ASP A 23 9.378 10.131 -5.938 1.00 0.00 N ATOM 336 CA ASP A 23 9.910 11.451 -5.502 1.00 0.00 C ATOM 337 C ASP A 23 9.251 11.853 -4.184 1.00 0.00 C ATOM 338 O ASP A 23 9.445 12.944 -3.686 1.00 0.00 O ATOM 339 CB ASP A 23 9.606 12.505 -6.569 1.00 0.00 C ATOM 340 CG ASP A 23 10.405 12.195 -7.836 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.283 11.350 -7.767 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.128 12.808 -8.853 1.00 0.00 O ATOM 0 H ASP A 23 8.569 10.175 -6.558 1.00 0.00 H new ATOM 0 HA ASP A 23 10.989 11.380 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.539 12.514 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.863 13.497 -6.198 1.00 0.00 H new ATOM 347 N VAL A 24 8.476 10.974 -3.613 1.00 0.00 N ATOM 348 CA VAL A 24 7.806 11.296 -2.326 1.00 0.00 C ATOM 349 C VAL A 24 8.585 10.640 -1.187 1.00 0.00 C ATOM 350 O VAL A 24 9.018 9.509 -1.291 1.00 0.00 O ATOM 351 CB VAL A 24 6.374 10.756 -2.343 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.657 11.165 -1.055 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.628 11.337 -3.547 1.00 0.00 C ATOM 0 H VAL A 24 8.278 10.045 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 24 7.779 12.376 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 24 6.396 9.669 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.637 10.780 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.189 10.755 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.633 12.252 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.608 10.954 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.607 12.424 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.138 11.047 -4.466 1.00 0.00 H new ATOM 363 N ASP A 25 8.779 11.340 -0.105 1.00 0.00 N ATOM 364 CA ASP A 25 9.542 10.749 1.026 1.00 0.00 C ATOM 365 C ASP A 25 8.794 9.527 1.561 1.00 0.00 C ATOM 366 O ASP A 25 7.995 9.625 2.470 1.00 0.00 O ATOM 367 CB ASP A 25 9.687 11.787 2.142 1.00 0.00 C ATOM 368 CG ASP A 25 10.569 12.938 1.657 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.594 13.960 2.323 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.203 12.780 0.627 1.00 0.00 O ATOM 0 H ASP A 25 8.443 12.292 0.044 1.00 0.00 H new ATOM 0 HA ASP A 25 10.531 10.448 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.706 12.164 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.126 11.326 3.027 1.00 0.00 H new ATOM 375 N VAL A 26 9.049 8.376 1.001 1.00 0.00 N ATOM 376 CA VAL A 26 8.353 7.148 1.479 1.00 0.00 C ATOM 377 C VAL A 26 8.721 6.896 2.942 1.00 0.00 C ATOM 378 O VAL A 26 8.267 5.948 3.552 1.00 0.00 O ATOM 379 CB VAL A 26 8.788 5.953 0.629 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.539 6.260 -0.849 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.278 5.687 0.850 1.00 0.00 C ATOM 0 H VAL A 26 9.707 8.233 0.235 1.00 0.00 H new ATOM 0 HA VAL A 26 7.275 7.281 1.392 1.00 0.00 H new ATOM 0 HB VAL A 26 8.214 5.073 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.849 5.408 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.478 6.451 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.113 7.140 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.589 4.836 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.852 6.567 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.456 5.468 1.903 1.00 0.00 H new ATOM 391 N ASP A 27 9.535 7.742 3.512 1.00 0.00 N ATOM 392 CA ASP A 27 9.925 7.558 4.938 1.00 0.00 C ATOM 393 C ASP A 27 8.940 8.322 5.825 1.00 0.00 C ATOM 394 O ASP A 27 9.116 8.430 7.022 1.00 0.00 O ATOM 395 CB ASP A 27 11.339 8.103 5.156 1.00 0.00 C ATOM 396 CG ASP A 27 12.341 7.248 4.379 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.959 6.179 3.935 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.474 7.679 4.241 1.00 0.00 O ATOM 0 H ASP A 27 9.947 8.553 3.051 1.00 0.00 H new ATOM 0 HA ASP A 27 9.906 6.498 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.396 9.140 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.584 8.094 6.218 1.00 0.00 H new ATOM 403 N LEU A 28 7.904 8.854 5.237 1.00 0.00 N ATOM 404 CA LEU A 28 6.897 9.617 6.028 1.00 0.00 C ATOM 405 C LEU A 28 5.754 8.690 6.426 1.00 0.00 C ATOM 406 O LEU A 28 5.273 7.906 5.632 1.00 0.00 O ATOM 407 CB LEU A 28 6.338 10.754 5.172 1.00 0.00 C ATOM 408 CG LEU A 28 5.399 11.623 6.013 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.130 12.894 6.448 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.170 11.997 5.179 1.00 0.00 C ATOM 0 H LEU A 28 7.711 8.793 4.237 1.00 0.00 H new ATOM 0 HA LEU A 28 7.371 10.023 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.154 11.360 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.801 10.346 4.315 1.00 0.00 H new ATOM 0 HG LEU A 28 5.084 11.069 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.461 13.512 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.004 12.626 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.447 13.451 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.500 12.616 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.485 12.552 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.649 11.090 4.872 1.00 0.00 H new ATOM 422 N ASP A 29 5.302 8.780 7.645 1.00 0.00 N ATOM 423 CA ASP A 29 4.179 7.910 8.069 1.00 0.00 C ATOM 424 C ASP A 29 2.972 8.229 7.190 1.00 0.00 C ATOM 425 O ASP A 29 2.521 9.356 7.126 1.00 0.00 O ATOM 426 CB ASP A 29 3.839 8.185 9.536 1.00 0.00 C ATOM 427 CG ASP A 29 5.000 7.733 10.422 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.870 7.040 9.920 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.000 8.088 11.590 1.00 0.00 O ATOM 0 H ASP A 29 5.660 9.414 8.359 1.00 0.00 H new ATOM 0 HA ASP A 29 4.454 6.860 7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.648 9.248 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.928 7.656 9.814 1.00 0.00 H new ATOM 434 N LEU A 30 2.455 7.256 6.498 1.00 0.00 N ATOM 435 CA LEU A 30 1.292 7.521 5.610 1.00 0.00 C ATOM 436 C LEU A 30 0.031 7.732 6.450 1.00 0.00 C ATOM 437 O LEU A 30 -1.053 7.888 5.924 1.00 0.00 O ATOM 438 CB LEU A 30 1.092 6.340 4.657 1.00 0.00 C ATOM 439 CG LEU A 30 0.665 5.105 5.448 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.781 4.747 5.102 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.579 3.934 5.086 1.00 0.00 C ATOM 0 H LEU A 30 2.786 6.291 6.508 1.00 0.00 H new ATOM 0 HA LEU A 30 1.484 8.423 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.335 6.586 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.016 6.136 4.117 1.00 0.00 H new ATOM 0 HG LEU A 30 0.739 5.313 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.083 3.866 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.433 5.582 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.859 4.538 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.278 3.050 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.502 3.729 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.610 4.187 5.333 1.00 0.00 H new ATOM 453 N VAL A 31 0.158 7.746 7.750 1.00 0.00 N ATOM 454 CA VAL A 31 -1.047 7.957 8.600 1.00 0.00 C ATOM 455 C VAL A 31 -1.776 9.198 8.102 1.00 0.00 C ATOM 456 O VAL A 31 -2.989 9.239 8.040 1.00 0.00 O ATOM 457 CB VAL A 31 -0.625 8.154 10.058 1.00 0.00 C ATOM 458 CG1 VAL A 31 -0.024 9.549 10.231 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.848 8.011 10.965 1.00 0.00 C ATOM 0 H VAL A 31 1.035 7.622 8.255 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.703 7.089 8.540 1.00 0.00 H new ATOM 0 HB VAL A 31 0.118 7.403 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.277 9.689 11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.847 9.653 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.766 10.301 9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.549 8.151 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.590 8.763 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.278 7.017 10.842 1.00 0.00 H new ATOM 469 N ASP A 32 -1.044 10.203 7.715 1.00 0.00 N ATOM 470 CA ASP A 32 -1.697 11.428 7.185 1.00 0.00 C ATOM 471 C ASP A 32 -2.567 11.015 6.001 1.00 0.00 C ATOM 472 O ASP A 32 -3.636 11.546 5.778 1.00 0.00 O ATOM 473 CB ASP A 32 -0.631 12.425 6.723 1.00 0.00 C ATOM 474 CG ASP A 32 0.146 12.941 7.935 1.00 0.00 C ATOM 475 OD1 ASP A 32 1.174 13.566 7.732 1.00 0.00 O ATOM 476 OD2 ASP A 32 -0.299 12.701 9.045 1.00 0.00 O ATOM 0 H ASP A 32 -0.025 10.229 7.743 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.303 11.903 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.049 11.946 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.100 13.257 6.197 1.00 0.00 H new ATOM 481 N ASN A 33 -2.110 10.049 5.251 1.00 0.00 N ATOM 482 CA ASN A 33 -2.892 9.561 4.085 1.00 0.00 C ATOM 483 C ASN A 33 -3.905 8.529 4.573 1.00 0.00 C ATOM 484 O ASN A 33 -4.446 7.762 3.800 1.00 0.00 O ATOM 485 CB ASN A 33 -1.956 8.915 3.072 1.00 0.00 C ATOM 486 CG ASN A 33 -0.909 9.933 2.627 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.232 11.064 2.323 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.341 9.577 2.586 1.00 0.00 N ATOM 0 H ASN A 33 -1.220 9.574 5.400 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.408 10.396 3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.469 8.045 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.523 8.560 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.053 10.248 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.609 8.627 2.842 1.00 0.00 H new ATOM 495 N GLY A 34 -4.159 8.507 5.854 1.00 0.00 N ATOM 496 CA GLY A 34 -5.138 7.535 6.416 1.00 0.00 C ATOM 497 C GLY A 34 -6.369 7.475 5.511 1.00 0.00 C ATOM 498 O GLY A 34 -7.186 6.586 5.614 1.00 0.00 O ATOM 0 H GLY A 34 -3.726 9.126 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.683 6.548 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.427 7.834 7.423 1.00 0.00 H new ATOM 502 N VAL A 35 -6.505 8.418 4.624 1.00 0.00 N ATOM 503 CA VAL A 35 -7.683 8.413 3.714 1.00 0.00 C ATOM 504 C VAL A 35 -7.802 7.034 3.062 1.00 0.00 C ATOM 505 O VAL A 35 -8.885 6.535 2.830 1.00 0.00 O ATOM 506 CB VAL A 35 -7.489 9.475 2.627 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.569 9.318 1.556 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.591 10.867 3.252 1.00 0.00 C ATOM 0 H VAL A 35 -5.853 9.191 4.489 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.589 8.634 4.279 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.507 9.350 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.429 10.075 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.497 8.326 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.552 9.441 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.453 11.624 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.573 10.990 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.820 10.981 4.014 1.00 0.00 H new ATOM 518 N ILE A 36 -6.693 6.417 2.764 1.00 0.00 N ATOM 519 CA ILE A 36 -6.730 5.071 2.124 1.00 0.00 C ATOM 520 C ILE A 36 -7.230 4.030 3.129 1.00 0.00 C ATOM 521 O ILE A 36 -7.713 2.979 2.760 1.00 0.00 O ATOM 522 CB ILE A 36 -5.319 4.683 1.686 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.395 3.615 0.595 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.561 4.115 2.885 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.038 2.923 0.464 1.00 0.00 C ATOM 0 H ILE A 36 -5.759 6.788 2.937 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.399 5.105 1.264 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.804 5.563 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.166 2.884 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.677 4.070 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.553 3.836 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.506 4.868 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.083 3.235 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.092 2.161 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.278 3.659 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.775 2.455 1.413 1.00 0.00 H new ATOM 537 N ASP A 37 -7.092 4.306 4.395 1.00 0.00 N ATOM 538 CA ASP A 37 -7.529 3.324 5.429 1.00 0.00 C ATOM 539 C ASP A 37 -9.005 2.964 5.241 1.00 0.00 C ATOM 540 O ASP A 37 -9.411 1.853 5.516 1.00 0.00 O ATOM 541 CB ASP A 37 -7.334 3.928 6.821 1.00 0.00 C ATOM 542 CG ASP A 37 -5.847 4.189 7.063 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.533 4.870 8.025 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.047 3.706 6.279 1.00 0.00 O ATOM 0 H ASP A 37 -6.694 5.171 4.761 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.928 2.420 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.896 4.858 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.723 3.250 7.581 1.00 0.00 H new ATOM 549 N SER A 38 -9.815 3.894 4.806 1.00 0.00 N ATOM 550 CA SER A 38 -11.268 3.592 4.641 1.00 0.00 C ATOM 551 C SER A 38 -11.669 3.605 3.164 1.00 0.00 C ATOM 552 O SER A 38 -12.081 2.603 2.618 1.00 0.00 O ATOM 553 CB SER A 38 -12.090 4.641 5.391 1.00 0.00 C ATOM 554 OG SER A 38 -12.635 4.054 6.581 1.00 0.00 O ATOM 0 H SER A 38 -9.536 4.844 4.559 1.00 0.00 H new ATOM 0 HA SER A 38 -11.460 2.598 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.464 5.496 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.893 5.014 4.755 1.00 0.00 H new ATOM 0 HG SER A 38 -13.161 4.724 7.065 1.00 0.00 H new ATOM 559 N LEU A 39 -11.579 4.732 2.520 1.00 0.00 N ATOM 560 CA LEU A 39 -11.989 4.798 1.089 1.00 0.00 C ATOM 561 C LEU A 39 -11.086 3.920 0.228 1.00 0.00 C ATOM 562 O LEU A 39 -11.550 3.097 -0.538 1.00 0.00 O ATOM 563 CB LEU A 39 -11.905 6.241 0.606 1.00 0.00 C ATOM 564 CG LEU A 39 -12.313 6.314 -0.862 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.720 5.742 -1.041 1.00 0.00 C ATOM 566 CD2 LEU A 39 -12.305 7.772 -1.305 1.00 0.00 C ATOM 0 H LEU A 39 -11.241 5.608 2.919 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.013 4.435 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.557 6.875 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.890 6.618 0.731 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.612 5.735 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.004 5.798 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.734 4.702 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.426 6.318 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.595 7.835 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.010 8.340 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.304 8.185 -1.180 1.00 0.00 H new ATOM 578 N GLY A 40 -9.805 4.090 0.340 1.00 0.00 N ATOM 579 CA GLY A 40 -8.871 3.271 -0.479 1.00 0.00 C ATOM 580 C GLY A 40 -8.878 1.823 0.008 1.00 0.00 C ATOM 581 O GLY A 40 -8.768 0.896 -0.770 1.00 0.00 O ATOM 0 H GLY A 40 -9.359 4.762 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.164 3.311 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.863 3.680 -0.413 1.00 0.00 H new ATOM 585 N LEU A 41 -8.993 1.619 1.290 1.00 0.00 N ATOM 586 CA LEU A 41 -8.991 0.227 1.820 1.00 0.00 C ATOM 587 C LEU A 41 -10.130 -0.566 1.186 1.00 0.00 C ATOM 588 O LEU A 41 -9.968 -1.709 0.810 1.00 0.00 O ATOM 589 CB LEU A 41 -9.171 0.254 3.340 1.00 0.00 C ATOM 590 CG LEU A 41 -9.208 -1.182 3.874 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.418 -1.273 5.182 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.661 -1.592 4.133 1.00 0.00 C ATOM 0 H LEU A 41 -9.088 2.353 1.992 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.041 -0.248 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.353 0.805 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.093 0.774 3.599 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.762 -1.849 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.449 -2.297 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.383 -0.983 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.859 -0.604 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.689 -2.613 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.103 -0.919 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.226 -1.535 3.203 1.00 0.00 H new ATOM 604 N LEU A 42 -11.278 0.029 1.053 1.00 0.00 N ATOM 605 CA LEU A 42 -12.414 -0.701 0.433 1.00 0.00 C ATOM 606 C LEU A 42 -12.107 -0.959 -1.042 1.00 0.00 C ATOM 607 O LEU A 42 -12.324 -2.040 -1.553 1.00 0.00 O ATOM 608 CB LEU A 42 -13.686 0.140 0.552 1.00 0.00 C ATOM 609 CG LEU A 42 -14.095 0.254 2.019 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.316 1.167 2.137 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.448 -1.132 2.548 1.00 0.00 C ATOM 0 H LEU A 42 -11.479 0.985 1.345 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.560 -1.652 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.517 1.132 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.490 -0.317 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.272 0.671 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.609 1.249 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.070 2.156 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.141 0.748 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.741 -1.058 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.274 -1.543 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.581 -1.787 2.459 1.00 0.00 H new ATOM 623 N LYS A 43 -11.599 0.026 -1.731 1.00 0.00 N ATOM 624 CA LYS A 43 -11.275 -0.163 -3.168 1.00 0.00 C ATOM 625 C LYS A 43 -10.122 -1.159 -3.314 1.00 0.00 C ATOM 626 O LYS A 43 -10.127 -2.008 -4.184 1.00 0.00 O ATOM 627 CB LYS A 43 -10.869 1.179 -3.771 1.00 0.00 C ATOM 628 CG LYS A 43 -12.063 2.134 -3.745 1.00 0.00 C ATOM 629 CD LYS A 43 -11.692 3.437 -4.457 1.00 0.00 C ATOM 630 CE LYS A 43 -12.842 4.436 -4.329 1.00 0.00 C ATOM 631 NZ LYS A 43 -14.137 3.738 -4.567 1.00 0.00 N ATOM 0 H LYS A 43 -11.395 0.953 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.150 -0.552 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.037 1.605 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.524 1.040 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.922 1.673 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.354 2.340 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.784 3.855 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.482 3.242 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.837 4.887 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.716 5.246 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.871 4.437 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.032 3.071 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.414 3.218 -3.710 1.00 0.00 H new ATOM 645 N VAL A 44 -9.129 -1.056 -2.472 1.00 0.00 N ATOM 646 CA VAL A 44 -7.969 -1.990 -2.564 1.00 0.00 C ATOM 647 C VAL A 44 -8.415 -3.411 -2.221 1.00 0.00 C ATOM 648 O VAL A 44 -8.035 -4.365 -2.871 1.00 0.00 O ATOM 649 CB VAL A 44 -6.881 -1.546 -1.586 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.742 -2.566 -1.590 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.341 -0.178 -2.010 1.00 0.00 C ATOM 0 H VAL A 44 -9.071 -0.365 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.576 -1.975 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.302 -1.476 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.967 -2.249 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.125 -3.541 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.321 -2.637 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.565 0.139 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.921 -0.248 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.152 0.550 -2.006 1.00 0.00 H new ATOM 661 N ILE A 45 -9.210 -3.562 -1.200 1.00 0.00 N ATOM 662 CA ILE A 45 -9.674 -4.921 -0.811 1.00 0.00 C ATOM 663 C ILE A 45 -10.439 -5.554 -1.975 1.00 0.00 C ATOM 664 O ILE A 45 -10.168 -6.670 -2.372 1.00 0.00 O ATOM 665 CB ILE A 45 -10.585 -4.800 0.417 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.785 -5.115 1.685 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.757 -5.778 0.303 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.461 -4.347 1.678 1.00 0.00 C ATOM 0 H ILE A 45 -9.559 -2.801 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.820 -5.553 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.971 -3.782 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.366 -4.845 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.592 -6.186 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.397 -5.683 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.334 -5.551 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.376 -6.797 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.901 -4.579 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.876 -4.638 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.662 -3.276 1.639 1.00 0.00 H new ATOM 680 N ALA A 46 -11.389 -4.853 -2.528 1.00 0.00 N ATOM 681 CA ALA A 46 -12.162 -5.422 -3.666 1.00 0.00 C ATOM 682 C ALA A 46 -11.241 -5.583 -4.876 1.00 0.00 C ATOM 683 O ALA A 46 -11.326 -6.547 -5.611 1.00 0.00 O ATOM 684 CB ALA A 46 -13.313 -4.479 -4.023 1.00 0.00 C ATOM 0 H ALA A 46 -11.663 -3.913 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.564 -6.395 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.879 -4.895 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.969 -4.363 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.912 -3.506 -4.307 1.00 0.00 H new ATOM 690 N TRP A 47 -10.357 -4.646 -5.086 1.00 0.00 N ATOM 691 CA TRP A 47 -9.427 -4.743 -6.244 1.00 0.00 C ATOM 692 C TRP A 47 -8.446 -5.893 -6.025 1.00 0.00 C ATOM 693 O TRP A 47 -8.127 -6.633 -6.933 1.00 0.00 O ATOM 694 CB TRP A 47 -8.647 -3.436 -6.382 1.00 0.00 C ATOM 695 CG TRP A 47 -7.475 -3.651 -7.283 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.542 -3.821 -8.623 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.063 -3.726 -6.931 1.00 0.00 C ATOM 698 NE1 TRP A 47 -6.261 -3.996 -9.116 1.00 0.00 N ATOM 699 CE2 TRP A 47 -5.315 -3.945 -8.111 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.366 -3.625 -5.713 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -3.924 -4.060 -8.083 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.968 -3.741 -5.682 1.00 0.00 C ATOM 703 CH2 TRP A 47 -3.248 -3.958 -6.865 1.00 0.00 C ATOM 0 H TRP A 47 -10.239 -3.817 -4.504 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.003 -4.926 -7.151 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.292 -2.656 -6.786 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.310 -3.096 -5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.447 -3.820 -9.212 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.042 -4.144 -10.101 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.911 -3.457 -4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.374 -4.227 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.444 -3.663 -4.741 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.172 -4.046 -6.835 1.00 0.00 H new ATOM 714 N LEU A 48 -7.954 -6.037 -4.827 1.00 0.00 N ATOM 715 CA LEU A 48 -6.982 -7.127 -4.553 1.00 0.00 C ATOM 716 C LEU A 48 -7.603 -8.474 -4.922 1.00 0.00 C ATOM 717 O LEU A 48 -6.997 -9.284 -5.597 1.00 0.00 O ATOM 718 CB LEU A 48 -6.632 -7.113 -3.064 1.00 0.00 C ATOM 719 CG LEU A 48 -5.492 -8.084 -2.790 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.167 -7.430 -3.176 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.475 -8.433 -1.301 1.00 0.00 C ATOM 0 H LEU A 48 -8.183 -5.447 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.080 -6.977 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.345 -6.107 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.506 -7.389 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.633 -8.992 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.349 -8.123 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.182 -7.175 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.023 -6.524 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.660 -9.128 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.330 -7.525 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.423 -8.895 -1.025 1.00 0.00 H new ATOM 733 N GLU A 49 -8.812 -8.718 -4.498 1.00 0.00 N ATOM 734 CA GLU A 49 -9.474 -10.007 -4.841 1.00 0.00 C ATOM 735 C GLU A 49 -9.788 -10.031 -6.337 1.00 0.00 C ATOM 736 O GLU A 49 -9.722 -11.057 -6.980 1.00 0.00 O ATOM 737 CB GLU A 49 -10.765 -10.150 -4.021 1.00 0.00 C ATOM 738 CG GLU A 49 -11.627 -11.288 -4.576 1.00 0.00 C ATOM 739 CD GLU A 49 -10.822 -12.588 -4.604 1.00 0.00 C ATOM 740 OE1 GLU A 49 -11.151 -13.448 -5.405 1.00 0.00 O ATOM 741 OE2 GLU A 49 -9.889 -12.703 -3.828 1.00 0.00 O ATOM 0 H GLU A 49 -9.370 -8.081 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.812 -10.840 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.520 -10.346 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.325 -9.215 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.517 -11.415 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.968 -11.040 -5.581 1.00 0.00 H new ATOM 748 N ASP A 50 -10.139 -8.911 -6.895 1.00 0.00 N ATOM 749 CA ASP A 50 -10.465 -8.877 -8.346 1.00 0.00 C ATOM 750 C ASP A 50 -9.231 -9.230 -9.183 1.00 0.00 C ATOM 751 O ASP A 50 -9.306 -9.999 -10.120 1.00 0.00 O ATOM 752 CB ASP A 50 -10.935 -7.473 -8.716 1.00 0.00 C ATOM 753 CG ASP A 50 -11.472 -7.471 -10.149 1.00 0.00 C ATOM 754 OD1 ASP A 50 -11.550 -8.541 -10.731 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.795 -6.402 -10.639 1.00 0.00 O ATOM 0 H ASP A 50 -10.215 -8.017 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.249 -9.606 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.712 -7.145 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.110 -6.767 -8.625 1.00 0.00 H new ATOM 760 N ARG A 51 -8.105 -8.654 -8.871 1.00 0.00 N ATOM 761 CA ARG A 51 -6.874 -8.931 -9.668 1.00 0.00 C ATOM 762 C ARG A 51 -6.109 -10.152 -9.136 1.00 0.00 C ATOM 763 O ARG A 51 -5.848 -11.093 -9.860 1.00 0.00 O ATOM 764 CB ARG A 51 -5.961 -7.705 -9.625 1.00 0.00 C ATOM 765 CG ARG A 51 -4.756 -7.932 -10.539 1.00 0.00 C ATOM 766 CD ARG A 51 -3.823 -6.723 -10.466 1.00 0.00 C ATOM 767 NE ARG A 51 -4.540 -5.514 -10.960 1.00 0.00 N ATOM 768 CZ ARG A 51 -3.868 -4.519 -11.474 1.00 0.00 C ATOM 769 NH1 ARG A 51 -4.499 -3.464 -11.913 1.00 0.00 N ATOM 770 NH2 ARG A 51 -2.565 -4.577 -11.547 1.00 0.00 N ATOM 0 H ARG A 51 -7.982 -8.001 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.179 -9.148 -10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.510 -6.819 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.627 -7.523 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.223 -8.834 -10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.089 -8.086 -11.565 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.490 -6.568 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.931 -6.901 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.557 -5.463 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.516 -3.417 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.975 -2.687 -12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.071 -5.400 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.042 -3.799 -11.949 1.00 0.00 H new ATOM 784 N PHE A 52 -5.706 -10.127 -7.893 1.00 0.00 N ATOM 785 CA PHE A 52 -4.911 -11.264 -7.341 1.00 0.00 C ATOM 786 C PHE A 52 -5.804 -12.453 -6.967 1.00 0.00 C ATOM 787 O PHE A 52 -5.349 -13.579 -6.921 1.00 0.00 O ATOM 788 CB PHE A 52 -4.162 -10.785 -6.098 1.00 0.00 C ATOM 789 CG PHE A 52 -3.106 -9.783 -6.502 1.00 0.00 C ATOM 790 CD1 PHE A 52 -1.845 -10.225 -6.919 1.00 0.00 C ATOM 791 CD2 PHE A 52 -3.389 -8.413 -6.460 1.00 0.00 C ATOM 792 CE1 PHE A 52 -0.866 -9.297 -7.292 1.00 0.00 C ATOM 793 CE2 PHE A 52 -2.411 -7.485 -6.834 1.00 0.00 C ATOM 794 CZ PHE A 52 -1.149 -7.927 -7.250 1.00 0.00 C ATOM 0 H PHE A 52 -5.893 -9.369 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.213 -11.598 -8.109 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.858 -10.331 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.700 -11.631 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.628 -11.282 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.362 -8.072 -6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.107 -9.638 -7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.629 -6.428 -6.802 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.394 -7.211 -7.538 1.00 0.00 H new ATOM 804 N GLY A 53 -7.058 -12.233 -6.692 1.00 0.00 N ATOM 805 CA GLY A 53 -7.934 -13.383 -6.317 1.00 0.00 C ATOM 806 C GLY A 53 -7.673 -13.767 -4.859 1.00 0.00 C ATOM 807 O GLY A 53 -7.760 -14.920 -4.484 1.00 0.00 O ATOM 0 H GLY A 53 -7.513 -11.320 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.982 -13.115 -6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.736 -14.233 -6.970 1.00 0.00 H new ATOM 811 N ILE A 54 -7.353 -12.808 -4.033 1.00 0.00 N ATOM 812 CA ILE A 54 -7.083 -13.111 -2.600 1.00 0.00 C ATOM 813 C ILE A 54 -8.281 -12.668 -1.758 1.00 0.00 C ATOM 814 O ILE A 54 -8.912 -11.672 -2.040 1.00 0.00 O ATOM 815 CB ILE A 54 -5.836 -12.351 -2.151 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.657 -12.748 -3.041 1.00 0.00 C ATOM 817 CG2 ILE A 54 -5.518 -12.700 -0.696 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.507 -11.765 -2.829 1.00 0.00 C ATOM 0 H ILE A 54 -7.267 -11.825 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.923 -14.182 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.013 -11.279 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.333 -13.761 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.961 -12.748 -4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.628 -12.157 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.360 -12.420 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.339 -13.772 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.666 -12.047 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.836 -10.759 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.197 -11.787 -1.784 1.00 0.00 H new ATOM 830 N ALA A 55 -8.603 -13.402 -0.729 1.00 0.00 N ATOM 831 CA ALA A 55 -9.768 -13.020 0.115 1.00 0.00 C ATOM 832 C ALA A 55 -9.529 -11.637 0.717 1.00 0.00 C ATOM 833 O ALA A 55 -8.412 -11.256 1.005 1.00 0.00 O ATOM 834 CB ALA A 55 -9.940 -14.043 1.239 1.00 0.00 C ATOM 0 H ALA A 55 -8.111 -14.247 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.669 -12.998 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.793 -13.764 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.111 -15.030 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.039 -14.065 1.852 1.00 0.00 H new ATOM 840 N ALA A 56 -10.574 -10.877 0.898 1.00 0.00 N ATOM 841 CA ALA A 56 -10.414 -9.511 1.468 1.00 0.00 C ATOM 842 C ALA A 56 -9.735 -9.602 2.837 1.00 0.00 C ATOM 843 O ALA A 56 -8.978 -8.734 3.224 1.00 0.00 O ATOM 844 CB ALA A 56 -11.791 -8.865 1.629 1.00 0.00 C ATOM 0 H ALA A 56 -11.533 -11.144 0.675 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.801 -8.908 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.677 -7.865 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.278 -8.799 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.401 -9.470 2.300 1.00 0.00 H new ATOM 924 N SER A 62 -6.534 -3.519 11.567 1.00 0.00 N ATOM 925 CA SER A 62 -5.355 -3.074 12.363 1.00 0.00 C ATOM 926 C SER A 62 -4.965 -1.649 11.956 1.00 0.00 C ATOM 927 O SER A 62 -4.091 -1.451 11.135 1.00 0.00 O ATOM 928 CB SER A 62 -4.183 -4.015 12.098 1.00 0.00 C ATOM 929 OG SER A 62 -4.061 -4.930 13.179 1.00 0.00 O ATOM 0 HA SER A 62 -5.607 -3.090 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.340 -4.556 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.262 -3.444 11.984 1.00 0.00 H new ATOM 0 HG SER A 62 -3.310 -5.537 13.011 1.00 0.00 H new ATOM 935 N PRO A 63 -5.606 -0.664 12.527 1.00 0.00 N ATOM 936 CA PRO A 63 -5.319 0.768 12.217 1.00 0.00 C ATOM 937 C PRO A 63 -3.835 1.107 12.397 1.00 0.00 C ATOM 938 O PRO A 63 -3.305 1.987 11.748 1.00 0.00 O ATOM 939 CB PRO A 63 -6.168 1.547 13.223 1.00 0.00 C ATOM 940 CG PRO A 63 -7.237 0.604 13.672 1.00 0.00 C ATOM 941 CD PRO A 63 -6.674 -0.807 13.526 1.00 0.00 C ATOM 0 HA PRO A 63 -5.552 1.009 11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.564 1.884 14.066 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.599 2.437 12.764 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.517 0.803 14.706 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.137 0.725 13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.286 -1.182 14.473 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.439 -1.509 13.194 1.00 0.00 H new ATOM 949 N GLU A 64 -3.164 0.409 13.272 1.00 0.00 N ATOM 950 CA GLU A 64 -1.714 0.676 13.495 1.00 0.00 C ATOM 951 C GLU A 64 -0.922 0.259 12.255 1.00 0.00 C ATOM 952 O GLU A 64 0.225 0.619 12.083 1.00 0.00 O ATOM 953 CB GLU A 64 -1.230 -0.119 14.702 1.00 0.00 C ATOM 954 CG GLU A 64 -1.916 0.402 15.963 1.00 0.00 C ATOM 955 CD GLU A 64 -1.514 1.858 16.207 1.00 0.00 C ATOM 956 OE1 GLU A 64 -0.517 2.281 15.644 1.00 0.00 O ATOM 957 OE2 GLU A 64 -2.210 2.526 16.955 1.00 0.00 O ATOM 0 H GLU A 64 -3.559 -0.337 13.844 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.564 1.740 13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.451 -1.178 14.566 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.148 -0.029 14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.998 0.327 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.636 -0.211 16.820 1.00 0.00 H new ATOM 964 N HIS A 65 -1.529 -0.514 11.400 1.00 0.00 N ATOM 965 CA HIS A 65 -0.827 -0.984 10.172 1.00 0.00 C ATOM 966 C HIS A 65 -0.545 0.199 9.240 1.00 0.00 C ATOM 967 O HIS A 65 0.368 0.161 8.439 1.00 0.00 O ATOM 968 CB HIS A 65 -1.721 -1.999 9.454 1.00 0.00 C ATOM 969 CG HIS A 65 -0.923 -2.745 8.421 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.451 -3.080 7.182 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.358 -3.241 8.430 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.501 -3.749 6.503 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.617 -3.873 7.220 1.00 0.00 N ATOM 0 H HIS A 65 -2.489 -0.844 11.499 1.00 0.00 H new ATOM 0 HA HIS A 65 0.121 -1.446 10.448 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.143 -2.699 10.175 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.558 -1.487 8.979 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.389 -2.859 6.847 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.055 -3.153 9.250 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.628 -4.137 5.503 1.00 0.00 H new ATOM 982 N PHE A 66 -1.320 1.245 9.327 1.00 0.00 N ATOM 983 CA PHE A 66 -1.090 2.419 8.433 1.00 0.00 C ATOM 984 C PHE A 66 -0.082 3.375 9.074 1.00 0.00 C ATOM 985 O PHE A 66 0.198 4.434 8.549 1.00 0.00 O ATOM 986 CB PHE A 66 -2.406 3.167 8.219 1.00 0.00 C ATOM 987 CG PHE A 66 -3.460 2.213 7.719 1.00 0.00 C ATOM 988 CD1 PHE A 66 -3.416 1.745 6.401 1.00 0.00 C ATOM 989 CD2 PHE A 66 -4.486 1.803 8.575 1.00 0.00 C ATOM 990 CE1 PHE A 66 -4.401 0.865 5.940 1.00 0.00 C ATOM 991 CE2 PHE A 66 -5.469 0.923 8.115 1.00 0.00 C ATOM 992 CZ PHE A 66 -5.428 0.454 6.799 1.00 0.00 C ATOM 0 H PHE A 66 -2.101 1.339 9.976 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.703 2.062 7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.731 3.625 9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.263 3.975 7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.623 2.063 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.519 2.166 9.592 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.370 0.503 4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.261 0.605 8.777 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.189 -0.226 6.444 1.00 0.00 H new ATOM 1002 N ARG A 67 0.452 3.029 10.211 1.00 0.00 N ATOM 1003 CA ARG A 67 1.424 3.942 10.878 1.00 0.00 C ATOM 1004 C ARG A 67 2.601 4.240 9.943 1.00 0.00 C ATOM 1005 O ARG A 67 3.084 5.353 9.886 1.00 0.00 O ATOM 1006 CB ARG A 67 1.934 3.292 12.170 1.00 0.00 C ATOM 1007 CG ARG A 67 2.928 4.216 12.889 1.00 0.00 C ATOM 1008 CD ARG A 67 2.201 5.437 13.466 1.00 0.00 C ATOM 1009 NE ARG A 67 3.121 6.171 14.381 1.00 0.00 N ATOM 1010 CZ ARG A 67 2.658 7.119 15.149 1.00 0.00 C ATOM 1011 NH1 ARG A 67 3.464 7.762 15.950 1.00 0.00 N ATOM 1012 NH2 ARG A 67 1.390 7.425 15.117 1.00 0.00 N ATOM 0 H ARG A 67 0.260 2.158 10.706 1.00 0.00 H new ATOM 0 HA ARG A 67 0.924 4.880 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.093 3.072 12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.415 2.342 11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.428 3.671 13.689 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.702 4.541 12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.871 6.093 12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.308 5.122 14.006 1.00 0.00 H new ATOM 0 HE ARG A 67 4.112 5.932 14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.455 7.523 15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.102 8.503 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.760 6.923 14.491 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.029 8.166 15.718 1.00 0.00 H new ATOM 1026 N SER A 68 3.076 3.266 9.214 1.00 0.00 N ATOM 1027 CA SER A 68 4.227 3.530 8.301 1.00 0.00 C ATOM 1028 C SER A 68 4.071 2.729 7.006 1.00 0.00 C ATOM 1029 O SER A 68 3.451 1.685 6.977 1.00 0.00 O ATOM 1030 CB SER A 68 5.527 3.121 8.995 1.00 0.00 C ATOM 1031 OG SER A 68 5.555 1.709 9.144 1.00 0.00 O ATOM 0 H SER A 68 2.722 2.309 9.210 1.00 0.00 H new ATOM 0 HA SER A 68 4.252 4.593 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.385 3.454 8.411 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.599 3.603 9.970 1.00 0.00 H new ATOM 0 HG SER A 68 4.838 1.430 9.750 1.00 0.00 H new ATOM 1037 N ILE A 69 4.641 3.214 5.934 1.00 0.00 N ATOM 1038 CA ILE A 69 4.545 2.497 4.639 1.00 0.00 C ATOM 1039 C ILE A 69 5.292 1.166 4.731 1.00 0.00 C ATOM 1040 O ILE A 69 4.886 0.171 4.164 1.00 0.00 O ATOM 1041 CB ILE A 69 5.175 3.359 3.547 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.457 4.701 3.473 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.042 2.657 2.208 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.167 5.608 2.465 1.00 0.00 C ATOM 0 H ILE A 69 5.172 4.084 5.905 1.00 0.00 H new ATOM 0 HA ILE A 69 3.498 2.305 4.403 1.00 0.00 H new ATOM 0 HB ILE A 69 6.228 3.518 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.419 4.553 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.444 5.173 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.492 3.272 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.552 1.694 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.987 2.500 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.652 6.567 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.198 5.766 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.157 5.137 1.482 1.00 0.00 H new ATOM 1056 N ARG A 70 6.391 1.143 5.436 1.00 0.00 N ATOM 1057 CA ARG A 70 7.173 -0.119 5.556 1.00 0.00 C ATOM 1058 C ARG A 70 6.315 -1.199 6.217 1.00 0.00 C ATOM 1059 O ARG A 70 6.385 -2.359 5.862 1.00 0.00 O ATOM 1060 CB ARG A 70 8.420 0.134 6.406 1.00 0.00 C ATOM 1061 CG ARG A 70 9.336 1.126 5.685 1.00 0.00 C ATOM 1062 CD ARG A 70 10.636 1.289 6.474 1.00 0.00 C ATOM 1063 NE ARG A 70 10.322 1.733 7.861 1.00 0.00 N ATOM 1064 CZ ARG A 70 11.248 2.287 8.594 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.973 2.676 9.809 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.451 2.451 8.113 1.00 0.00 N ATOM 0 H ARG A 70 6.780 1.944 5.934 1.00 0.00 H new ATOM 0 HA ARG A 70 7.470 -0.455 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.135 0.529 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.948 -0.803 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.552 0.771 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.837 2.090 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.181 0.345 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.282 2.018 5.985 1.00 0.00 H new ATOM 0 HE ARG A 70 9.383 1.604 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.034 2.547 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.697 3.109 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.667 2.146 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.175 2.884 8.686 1.00 0.00 H new ATOM 1080 N SER A 71 5.504 -0.835 7.171 1.00 0.00 N ATOM 1081 CA SER A 71 4.648 -1.850 7.838 1.00 0.00 C ATOM 1082 C SER A 71 3.750 -2.512 6.792 1.00 0.00 C ATOM 1083 O SER A 71 3.560 -3.713 6.791 1.00 0.00 O ATOM 1084 CB SER A 71 3.784 -1.163 8.894 1.00 0.00 C ATOM 1085 OG SER A 71 4.619 -0.420 9.773 1.00 0.00 O ATOM 0 H SER A 71 5.398 0.119 7.516 1.00 0.00 H new ATOM 0 HA SER A 71 5.271 -2.606 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.061 -0.502 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.215 -1.905 9.454 1.00 0.00 H new ATOM 0 HG SER A 71 5.327 0.020 9.258 1.00 0.00 H new ATOM 1091 N ILE A 72 3.206 -1.739 5.894 1.00 0.00 N ATOM 1092 CA ILE A 72 2.332 -2.311 4.841 1.00 0.00 C ATOM 1093 C ILE A 72 3.170 -3.179 3.900 1.00 0.00 C ATOM 1094 O ILE A 72 2.734 -4.215 3.439 1.00 0.00 O ATOM 1095 CB ILE A 72 1.687 -1.171 4.056 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.855 -0.307 5.008 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.783 -1.751 2.975 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.289 0.892 4.245 1.00 0.00 C ATOM 0 H ILE A 72 3.333 -0.728 5.847 1.00 0.00 H new ATOM 0 HA ILE A 72 1.555 -2.925 5.297 1.00 0.00 H new ATOM 0 HB ILE A 72 2.462 -0.560 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.043 -0.896 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.472 0.035 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.321 -0.939 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.374 -2.370 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.006 -2.360 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.303 1.507 4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.109 1.485 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.342 0.539 3.429 1.00 0.00 H new ATOM 1110 N ASP A 73 4.369 -2.757 3.606 1.00 0.00 N ATOM 1111 CA ASP A 73 5.236 -3.544 2.691 1.00 0.00 C ATOM 1112 C ASP A 73 5.416 -4.961 3.242 1.00 0.00 C ATOM 1113 O ASP A 73 5.422 -5.927 2.503 1.00 0.00 O ATOM 1114 CB ASP A 73 6.602 -2.863 2.594 1.00 0.00 C ATOM 1115 CG ASP A 73 6.446 -1.488 1.942 1.00 0.00 C ATOM 1116 OD1 ASP A 73 5.359 -1.196 1.472 1.00 0.00 O ATOM 1117 OD2 ASP A 73 7.416 -0.749 1.925 1.00 0.00 O ATOM 0 H ASP A 73 4.785 -1.897 3.963 1.00 0.00 H new ATOM 0 HA ASP A 73 4.774 -3.597 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.038 -2.758 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.285 -3.478 2.009 1.00 0.00 H new ATOM 1122 N ALA A 74 5.568 -5.094 4.531 1.00 0.00 N ATOM 1123 CA ALA A 74 5.753 -6.448 5.124 1.00 0.00 C ATOM 1124 C ALA A 74 4.481 -7.276 4.938 1.00 0.00 C ATOM 1125 O ALA A 74 4.533 -8.460 4.668 1.00 0.00 O ATOM 1126 CB ALA A 74 6.059 -6.313 6.616 1.00 0.00 C ATOM 0 H ALA A 74 5.572 -4.323 5.199 1.00 0.00 H new ATOM 0 HA ALA A 74 6.582 -6.948 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.194 -7.303 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.971 -5.730 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.230 -5.809 7.113 1.00 0.00 H new ATOM 1132 N PHE A 75 3.338 -6.666 5.084 1.00 0.00 N ATOM 1133 CA PHE A 75 2.065 -7.423 4.921 1.00 0.00 C ATOM 1134 C PHE A 75 1.975 -7.983 3.500 1.00 0.00 C ATOM 1135 O PHE A 75 1.666 -9.140 3.296 1.00 0.00 O ATOM 1136 CB PHE A 75 0.883 -6.490 5.176 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.401 -7.284 5.143 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.850 -7.939 6.295 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.143 -7.365 3.958 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.040 -8.674 6.265 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.334 -8.102 3.927 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.782 -8.756 5.080 1.00 0.00 C ATOM 0 H PHE A 75 3.230 -5.677 5.309 1.00 0.00 H new ATOM 0 HA PHE A 75 2.041 -8.247 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.995 -6.000 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.857 -5.704 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.277 -7.877 7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.797 -6.860 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.386 -9.178 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.906 -8.165 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.700 -9.324 5.056 1.00 0.00 H new ATOM 1152 N VAL A 76 2.241 -7.171 2.513 1.00 0.00 N ATOM 1153 CA VAL A 76 2.171 -7.650 1.110 1.00 0.00 C ATOM 1154 C VAL A 76 3.249 -8.708 0.870 1.00 0.00 C ATOM 1155 O VAL A 76 3.021 -9.704 0.212 1.00 0.00 O ATOM 1156 CB VAL A 76 2.393 -6.467 0.171 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.554 -6.979 -1.255 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.189 -5.525 0.243 1.00 0.00 C ATOM 0 H VAL A 76 2.505 -6.192 2.623 1.00 0.00 H new ATOM 0 HA VAL A 76 1.193 -8.092 0.921 1.00 0.00 H new ATOM 0 HB VAL A 76 3.292 -5.928 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.713 -6.137 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.411 -7.651 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.654 -7.517 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.347 -4.680 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.289 -6.062 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.072 -5.161 1.264 1.00 0.00 H new ATOM 1168 N VAL A 77 4.426 -8.498 1.393 1.00 0.00 N ATOM 1169 CA VAL A 77 5.518 -9.483 1.193 1.00 0.00 C ATOM 1170 C VAL A 77 5.122 -10.832 1.800 1.00 0.00 C ATOM 1171 O VAL A 77 5.316 -11.874 1.205 1.00 0.00 O ATOM 1172 CB VAL A 77 6.778 -8.967 1.883 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.833 -10.067 1.897 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.317 -7.754 1.122 1.00 0.00 C ATOM 0 H VAL A 77 4.676 -7.682 1.952 1.00 0.00 H new ATOM 0 HA VAL A 77 5.701 -9.614 0.127 1.00 0.00 H new ATOM 0 HB VAL A 77 6.540 -8.677 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.734 -9.701 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.450 -10.932 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.071 -10.356 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.217 -7.386 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.556 -8.043 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.562 -6.968 1.110 1.00 0.00 H new ATOM 1184 N GLY A 78 4.574 -10.821 2.984 1.00 0.00 N ATOM 1185 CA GLY A 78 4.173 -12.102 3.635 1.00 0.00 C ATOM 1186 C GLY A 78 3.050 -12.776 2.842 1.00 0.00 C ATOM 1187 O GLY A 78 3.033 -13.980 2.677 1.00 0.00 O ATOM 0 H GLY A 78 4.386 -9.980 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.033 -12.769 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.842 -11.910 4.656 1.00 0.00 H new ATOM 1191 N ALA A 79 2.106 -12.015 2.359 1.00 0.00 N ATOM 1192 CA ALA A 79 0.982 -12.627 1.589 1.00 0.00 C ATOM 1193 C ALA A 79 1.440 -12.938 0.166 1.00 0.00 C ATOM 1194 O ALA A 79 1.259 -14.033 -0.330 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.194 -11.649 1.542 1.00 0.00 C ATOM 0 H ALA A 79 2.063 -11.001 2.463 1.00 0.00 H new ATOM 0 HA ALA A 79 0.672 -13.551 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.015 -12.094 0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.525 -11.430 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.120 -10.726 1.055 1.00 0.00 H new ATOM 1201 N THR A 80 2.038 -11.986 -0.487 1.00 0.00 N ATOM 1202 CA THR A 80 2.524 -12.213 -1.876 1.00 0.00 C ATOM 1203 C THR A 80 3.973 -11.745 -1.970 1.00 0.00 C ATOM 1204 O THR A 80 4.415 -10.927 -1.189 1.00 0.00 O ATOM 1205 CB THR A 80 1.663 -11.415 -2.858 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.988 -10.035 -2.757 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.184 -11.619 -2.525 1.00 0.00 C ATOM 0 H THR A 80 2.213 -11.052 -0.117 1.00 0.00 H new ATOM 0 HA THR A 80 2.458 -13.272 -2.124 1.00 0.00 H new ATOM 0 HB THR A 80 1.855 -11.760 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.197 -9.816 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.428 -11.050 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.064 -12.678 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.011 -11.275 -1.509 1.00 0.00 H new ATOM 1215 N THR A 81 4.718 -12.250 -2.910 1.00 0.00 N ATOM 1216 CA THR A 81 6.135 -11.818 -3.035 1.00 0.00 C ATOM 1217 C THR A 81 6.501 -11.662 -4.515 1.00 0.00 C ATOM 1218 O THR A 81 7.004 -12.577 -5.136 1.00 0.00 O ATOM 1219 CB THR A 81 7.031 -12.874 -2.387 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.376 -12.673 -2.801 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.567 -14.269 -2.809 1.00 0.00 C ATOM 0 H THR A 81 4.409 -12.940 -3.594 1.00 0.00 H new ATOM 0 HA THR A 81 6.275 -10.859 -2.536 1.00 0.00 H new ATOM 0 HB THR A 81 6.969 -12.786 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.699 -11.814 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.207 -15.021 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.537 -14.422 -2.488 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.627 -14.360 -3.894 1.00 0.00 H new